5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine

C15H19F2N3OS — CID 143834654

IUPAC5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
SMILESCNc1ccc(F)c(C23CCOC(CF)C2CSC(N)=N3)c1
InChIInChI=1S/C15H19F2N3OS/c1-19-9-2-3-12(17)10(6-9)15-4-5-21-13(7-16)11(15)8-22-14(18)20-15/h2-3,6,11,13,19H,4-5,7-8H2,1H3,(H2,18,20)
InChIKeyFINRDDYAGBPBLQ-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.50
Rot. Bonds3

About 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine

5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine (PubChem CID 143834654) has the molecular formula C15H19F2N3OS and a molecular weight of 327.40 g/mol. Its IUPAC name is 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
PubChem CID143834654
Molecular FormulaC15H19F2N3OS
Molecular Weight327.40 g/mol
Exact Mass327.12
IUPAC Name5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine
SMILESCNc1ccc(F)c(C23CCOC(CF)C2CSC(N)=N3)c1
InChIInChI=1S/C15H19F2N3OS/c1-19-9-2-3-12(17)10(6-9)15-4-5-21-13(7-16)11(15)8-22-14(18)20-15/h2-3,6,11,13,19H,4-5,7-8H2,1H3,(H2,18,20)
InChIKeyFINRDDYAGBPBLQ-UHFFFAOYSA-N
XLogP2.50
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4aS,5S,8aS)-8a-(5-amino-2-fluorophenyl)-5-(fluoromethyl)-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-yl]-tert-butylcarbamic acid
CID 67278768
8a-[2-fluoro-5-(methylamino)phenyl]-4,4a,5,6,7,8-hexahydro-3,1-benzothiazin-2-amine;benzaldehyde
CID 143834764
2-[3-[(4aS,5S,7aS)-2-amino-5-(fluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-1-(5-fluoro-2-pyridinyl)ethanone
CID 147172597
N-[3-[(4aS,5S,7aR)-2-amino-5-ethyl-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 123826070
7a-(2-fluoro-5-nitrophenyl)-5-(methoxymethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
CID 67477646
N-[3-[2-amino-5-(trifluoromethyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 76555705
N-[3-[(8aS)-2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide;hydrochloride
CID 66861209
N-[3-(2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 67279489
N-[3-[(8aR)-2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-fluoropyrimidine-2-carboxamide;hydrochloride
CID 66861212
N-[3-[(8aS)-2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl]-4-fluorophenyl]pyridine-2-carboxamide
CID 66861397
N-[3-[(4aR,5S,8aR)-2-amino-5-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 67952280
N-[3-[(4aS,5S,8aS)-2-amino-5-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 67952281

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine?
The IUPAC name of 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine (CID 143834654) is 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine.
What is the SMILES notation for 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine?
The canonical SMILES for 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine is CNc1ccc(F)c(C23CCOC(CF)C2CSC(N)=N3)c1.
What is the InChIKey of 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine?
The InChIKey is FINRDDYAGBPBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3OS/c1-19-9-2-3-12(17)10(6-9)15-4-5-21-13(7-16)11(15)8-22-14(18)20-15/h2-3,6,11,13,19H,4-5,7-8H2,1H3,(H2,18,20).
What are the key properties of 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine?
5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine has a molecular weight of 327.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-8a-[2-fluoro-5-(methylamino)phenyl]-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-2-amine is sourced from PubChem (CID 143834654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).